disodium 3-(methylamino)-4-oxidanidylperoxysulfanyl-benzenesulfonate

Systemtic Name: disodium 3-(methylamino)-4-oxidanidylperoxysulfanyl-benzenesulfonate Openeye Name: disodium 3-(methylamino)-4-oxidoperoxysulfanyl-benzenesulfonate CAS Name: disodium 3-(methylamino)-4-(oxidodioxythio)benzenesulfonate IUPAC Name: disodium 3-(methylamino)-4-oxidoperoxysulfanylbenzenesulfonate Traditional Name: disodium 3-(methylamino)-4-(oxidoperoxythio)besylate Formula: C7H7NNa2O6S2 MolecularWeight: 311.24312

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=CC(=C1)S(=O)(=O)[O-])SOO[O-].[Na+].[Na+]

Isomeric SMILES

CNC1=C(C=CC(=C1)S(=O)(=O)[O-])SOO[O-].[Na+].[Na+]

InChI

InChI=1S/C7H9NO6S2.2Na/c1-8-6-4-5(16(10,11)12)2-3-7(6)15-14-13-9;;/h2-4,8-9H,1H3,(H,10,11,12);;/q;2*+1/p-2